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1-Benzylpiperidin-4-One Hydrochloride - ≥97%, high purity , CAS No.20821-52-7

COA

Grade & Purity:

≥97%

Cas Number: 20821-52-7
Molecular Weight: 225.71
PubChem CID: 22145482

In stock

Item Number

B730490

Grouped product items
SKU	Size	Availability	Price	Qty
B730490-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$51.90
B730490-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$193.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Benzylamines Piperidinones Aralkylamines Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Piperidinone - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-benzylpiperidin-4-one;hydrochloride
INCHI	InChI=1S/C12H15NO.ClH/c14-12-6-8-13(9-7-12)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
InChIKey	IPFLWJCPYGCLHG-UHFFFAOYSA-N
Smiles	C1CN(CCC1=O)CC2=CC=CC=C2.Cl
Isomeric SMILES	C1CN(CCC1=O)CC2=CC=CC=C2.Cl
PubChem CID	22145482
Molecular Weight	225.71

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	225.710 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	225.092 Da
Monoisotopic Mass	225.092 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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